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B19401

Sigma-Aldrich

Benzyl cyanide

98%

Synonym(s):

Phenylacetonitrile

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About This Item

Linear Formula:
C6H5CH2CN
CAS Number:
140-29-4
Molecular Weight:
117.15
Beilstein:
385941
EC Number:
205-410-5
MDL number:
MFCD00001894
UNSPSC Code:
12352100
PubChem Substance ID:
24891621
NACRES:
NA.22
Pricing and availability is not currently available.

vapor pressure

0.1 mmHg ( 20 °C)

Assay

98%

form

liquid

refractive index

n20/D 1.523 (lit.)

bp

233-234 °C (lit.)

mp

−24 °C (lit.)

density

1.015 g/mL at 25 °C (lit.)

SMILES string

N#CCc1ccccc1

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

InChI key

SUSQOBVLVYHIEX-UHFFFAOYSA-N

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Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311,H330

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM4565
BCCK5782
BCCG4875
BCCB9984
MKCJ0275

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Benzonitrile for synthesis

Sigma-Aldrich

8.01800

Benzonitrile

Jacques Corset et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(5), 1340-1346 (2007-05-01)
The carbanionic species possibly formed during the first alkylation step of phenylacetonitrile lithiated anion by CH(3)I and PhCH(2)Cl in THF-hexane solution and their complexes with the lithium salt formed have been observed by infrared spectrometry and characterized by density functional
Hui-Lei Hou et al.
The Journal of organic chemistry, 77(5), 2553-2558 (2012-02-10)
Aerobic oxidations of dianionic C(60) were examined in PhCN and PhCH(2)CN, where dioxygen was activated to O(2)(•-) via the single-electron transfer from C(60)(2-) and underwent oxygenation and dehydrogenation reactions, respectively. Addition of PhCH(2)Br led to further benzylation for the oxygenated
Dunming Zhu et al.
Journal of biotechnology, 133(3), 327-333 (2007-12-07)
A nitrilase gene blr3397 from Bradyrhizobium japonicum USDA110 was cloned and over-expressed in Escherichia coli, and the encoded protein was purified to give a nitrilase with a single band of about 34.5kD on SDS-PAGE. The molecular weight of the holoenzyme
Martinus E Huigens et al.
Journal of chemical ecology, 37(4), 364-367 (2011-04-01)
Males of a variety of insects transfer an anti-aphrodisiac pheromone to females during mating that renders them less attractive to conspecific males. In cabbage white butterflies, the transfer of an anti-aphrodisiac can result in the unwanted attraction of tiny egg
Tekla Strzalko et al.
The Journal of organic chemistry, 77(15), 6431-6442 (2012-06-30)
Mechanisms of alkylation by PhCH(2)Cl or CH(3)I in THF and of deuteriation by DCl (4 N in D(2)O) in THF or THF-toluene of lithiated phenylacetonitrile monoanions and dianions obtained with LHMDS, LDA, or n-BuLi are studied by vibrational and NMR
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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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